SCHEMBL31338823

SCHEMBL31338823

CCOC(=O)c1cc(C(=O)c2ccccc2[N+](=O)[O-])n2c1cc(C)c1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.45
▸ GAA P10253 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MAPT P10636 6/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ LMNA P02545 4/20 0.40
▸ HTT P42858 1/20 0.40
▸ KDM4E B2RXH2 5/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ NOD2 Q9HC29 1/20 0.39
▸ NOD1 Q9Y239 1/20 0.39
▸ CDC25B P30305 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ GALR2 O43603 1/20 0.39
▸ MITF O75030 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31338812 0.82 FNTA (0.54) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL30708759 0.81 ALDH1A1 (0.44) ALDH1A1GAASMN1; SMN2MAPTKMT2A
SCHEMBL26931196 0.81 ALDH1A1 (0.44) ALDH1A1GAASMN1; SMN2MAPTKMT2A
SCHEMBL27156313 0.78 NOD2 (0.44) ALDH1A1GAASMN1; SMN2MAPTKMT2A
SCHEMBL31338810 0.78 FNTA (0.56) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL27211468 0.76 ALDH1A1 (0.47) ALDH1A1GAASMN1; SMN2MAPTKMT2A
SCHEMBL31338818 0.76 FNTA (0.42) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL1523174 0.75 ALDH1A1 (0.67) ALDH1A1GAASMN1; SMN2MAPTKMT2A
SCHEMBL24748610 0.75 ALDH1A1 (0.46) ALDH1A1GAASMN1; SMN2MAPTKMT2A
SCHEMBL31338813 0.75 KMT2A (0.40) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12194029-B1 Ethyl-1-(substitutedbenzoyl)-5-methylpyrrolo[1,2-a]quinoline-3-carboxylates as anticancer agents King Faisal University (SA) 2025-01-14 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12194029-B1 Ethyl-1-(substitutedbenzoyl)-5-methylpyrrolo[1,2-a]quinoline-3-carboxylates as anticancer agents TOP2A, TOP1, TP53 ALDH1A1 309/4885GAA 842/4885SMN1; SMN2 1812/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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